Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β42 monomer
A series of novel mimetic peptides were designed, synthesised and biologically evaluated as inhibitors of Aβ42 aggregation. One of the synthesised peptidic compounds, termed compound 7 modulated Aβ42 aggregation as demonstrated by thioflavin T fluorescence, acting also as an inhibitor of the cytotox...
Elmentve itt :
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Dokumentumtípus: | Cikk |
Megjelent: |
2018
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Sorozat: | BIOORGANIC CHEMISTRY
81 |
doi: | 10.1016/j.bioorg.2018.08.018 |
mtmt: | 3405755 |
Online Access: | http://publicatio.bibl.u-szeged.hu/14901 |
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100 | 1 | |a Gera János | |
245 | 1 | 0 | |a Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β42 monomer |h [elektronikus dokumentum] / |c Gera János |
260 | |c 2018 | ||
300 | |a 211-221 | ||
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520 | 3 | |a A series of novel mimetic peptides were designed, synthesised and biologically evaluated as inhibitors of Aβ42 aggregation. One of the synthesised peptidic compounds, termed compound 7 modulated Aβ42 aggregation as demonstrated by thioflavin T fluorescence, acting also as an inhibitor of the cytotoxicity exerted by Aβ42 aggregates. The early stage interaction between compound 7 and the Aβ42 monomer was investigated by replica exchange molecular dynamics (REMD) simulations and docking studies. Our theoretical results revealed that compound 7 can elongate the helical conformation state of an early stage Aβ42 monomer and it helps preventing the formation of β-sheet structures by interacting with key residues in the central hydrophobic cluster (CHC). This strategy where early “on-pathway” events are monitored by small molecules will help the development of new therapeutic strategies for Alzheimer’s disease. | |
700 | 0 | 1 | |a Szögi Titanilla |e aut |
700 | 0 | 1 | |a Bozsó Zsolt |e aut |
700 | 0 | 1 | |a Fülöp Lívia |e aut |
700 | 0 | 1 | |a Barrera Exequiel E. |e aut |
700 | 0 | 1 | |a Rodriguez Ana M. |e aut |
700 | 0 | 1 | |a Méndez Luciana |e aut |
700 | 0 | 1 | |a Delpiccolo Carina M.L. |e aut |
700 | 0 | 1 | |a Mata Ernesto G. |e aut |
700 | 0 | 1 | |a Cioffi Federica |e aut |
700 | 0 | 1 | |a Broersen Kerensa |e aut |
700 | 0 | 1 | |a Paragi Gábor |e aut |
700 | 0 | 1 | |a Enriz Ricardo D. |e aut |
856 | 4 | 0 | |u http://publicatio.bibl.u-szeged.hu/14901/1/BiorgChem-Elsevier.pdf |z Dokumentum-elérés |